methyl 4-(phenylmethyl)sulfonylbutanoate

Systemtic Name: methyl 4-(phenylmethyl)sulfonylbutanoate Openeye Name: methyl 4-benzylsulfonylbutanoate CAS Name: 4-(phenylmethyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 4-benzylsulfonylbutanoate Traditional Name: 4-benzylsulfonylbutyric acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H16O4S/c1-16-12(13)8-5-9-17(14,15)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3